General Information of the Compound
| Compound ID |
CP0169947
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| Compound Name |
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
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| Structure |
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| Formula |
C17H18FN5O2
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| Molecular Weight |
343.362
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| Canonical SMILES |
Cn1c(Cc2nc3ccc(F)cc3[nH]2)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C17H18FN5O2/c1-22-15(9-14-19-12-3-2-11(18)8-13(12)20-14)21-16(10-17(22)24)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,19,20)
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| InChIKey |
NMLASYCUCSTTHB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform